N-Piperonylidene-P-phenetidine
Basic information
- CAS
53384-69-3- Standard SMILES
CCOc1ccc(N=Cc2ccc3c(c2)OCO3)cc1- InChIKey
BDYURPHWKSBOIF-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- N-Piperonylidene-P-phenetidine
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)methanimine
- English name
- (1E)-1-(2H-1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)methanimine
- Molecular formula
- C16H15NO3
- Molecular weight
- 269.3
Names & synonyms
N-PIPERONYLIDENE-P-PHENETIDINERefChem:83103353384-69-3667-126-1AKOS024335064(1E)-1-(2H-1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)methanimine
Database identifiers
- CAS
53384-69-3- PubChem CID
- 3588232
- EC Number
- 667-126-1
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 424.506 · 424.506±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.181 · 1.181±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.975 · 6.975±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H302
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H302
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…